# generated using pymatgen data_Zr3V3ReTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20361331 _cell_length_b 5.24128703 _cell_length_c 12.81117971 _cell_angle_alpha 90.17900010 _cell_angle_beta 89.14004912 _cell_angle_gamma 120.00285845 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3V3ReTc2 _chemical_formula_sum 'Zr6 V6 Re2 Tc4' _cell_volume 302.54900479 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.33425663 0.66506362 0.91607763 1.0 Zr Zr1 1 0.00210210 0.00290762 0.24969868 1.0 Zr Zr2 1 0.66810542 0.33449156 0.58296464 1.0 Zr Zr3 1 0.33189458 0.66550844 0.66703536 1.0 Zr Zr4 1 0.99789790 0.99709238 0.00030032 1.0 Zr Zr5 1 0.66574337 0.33493638 0.33392237 1.0 V V6 1 0.33405925 0.66855282 0.29091841 1.0 V V7 1 0.00000000 0.00000000 0.62500000 1.0 V V8 1 0.66594075 0.33144718 0.95908159 1.0 V V9 1 0.00000000 0.50000000 0.12500000 1.0 V V10 1 0.66669104 0.83459018 0.45821641 1.0 V V11 1 0.33330896 0.16540982 0.79178359 1.0 Re Re12 1 0.16686496 0.33485410 0.45813431 1.0 Re Re13 1 0.83313504 0.66514590 0.79186569 1.0 Tc Tc14 1 0.50000000 0.50000000 0.12500000 1.0 Tc Tc15 1 0.16673995 0.83454441 0.45817406 1.0 Tc Tc16 1 0.83326005 0.16545559 0.79182594 1.0 Tc Tc17 1 0.50000000 0.00000000 0.12500000 1.0